methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C175H186F6N36O18S — CID 158027091

IUPACmethyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(CCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CCC(N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COC(=O)c1cc2cc(CCc3cccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3ccnc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3ncc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)s3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3nccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1
InChIInChI=1S/C33H36F3N5O3.C30H26F3N5O3.C29H32N6O3.2C28H31N7O3.C27H30N6O3S/c1-20-5-10-26(14-22(20)7-6-21-13-25-16-29(32(43)44-4)39-30(25)37-17-21)38-31(42)23-8-9-24(28(15-23)33(34,35)36)18-41-12-11-27(19-41)40(2)3;1-17-4-7-24(10-20(17)6-5-19-8-21-12-26(29(40)41-3)37-27(21)34-14-19)36-28(39)22-9-23(30(31,32)33)13-25(11-22)38-15-18(2)35-16-38;1-34-12-14-35(15-13-34)19-20-6-9-22(10-7-20)28(36)33-26-5-3-4-24(31-26)11-8-21-16-23-17-25(29(37)38-2)32-27(23)30-18-21;1-34-11-13-35(14-12-34)18-19-3-6-21(7-4-19)27(36)33-25-9-10-29-24(32-25)8-5-20-15-22-16-23(28(37)38-2)31-26(22)30-17-20;1-34-11-13-35(14-12-34)18-19-3-6-21(7-4-19)26(36)33-28-29-10-9-23(31-28)8-5-20-15-22-16-24(27(37)38-2)32-25(22)30-17-20;1-32-9-11-33(12-10-32)17-18-3-6-20(7-4-18)26(34)31-24-16-28-23(37-24)8-5-19-13-21-14-22(27(35)36-2)30-25(21)29-15-19/h5,8-10,13-17,27H,6-7,11-12,18-19H2,1-4H3,(H,37,39)(H,38,42);4,7-16H,5-6H2,1-3H3,(H,34,37)(H,36,39);3-7,9-10,16-18H,8,11-15,19H2,1-2H3,(H,30,32)(H,31,33,36);3-4,6-7,9-10,15-17H,5,8,11-14,18H2,1-2H3,(H,30,31)(H,29,32,33,36);3-4,6-7,9-10,15-17H,5,8,11-14,18H2,1-2H3,(H,30,32)(H,29,31,33,36);3-4,6-7,13-16H,5,8-12,17H2,1-2H3,(H,29,30)(H,31,34)
InChIKeyFGSPYBCZBIEKIM-UHFFFAOYSA-N
MW3227.70 g/mol
LogP25.03
Rot. Bonds48

About methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 158027091) has the molecular formula C175H186F6N36O18S and a molecular weight of 3227.70 g/mol. Its IUPAC name is methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID158027091
Molecular FormulaC175H186F6N36O18S
Molecular Weight3227.70 g/mol
Exact Mass3225.44
IUPAC Namemethyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(CCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CCC(N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COC(=O)c1cc2cc(CCc3cccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3ccnc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3ncc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)s3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3nccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1
InChIInChI=1S/C33H36F3N5O3.C30H26F3N5O3.C29H32N6O3.2C28H31N7O3.C27H30N6O3S/c1-20-5-10-26(14-22(20)7-6-21-13-25-16-29(32(43)44-4)39-30(25)37-17-21)38-31(42)23-8-9-24(28(15-23)33(34,35)36)18-41-12-11-27(19-41)40(2)3;1-17-4-7-24(10-20(17)6-5-19-8-21-12-26(29(40)41-3)37-27(21)34-14-19)36-28(39)22-9-23(30(31,32)33)13-25(11-22)38-15-18(2)35-16-38;1-34-12-14-35(15-13-34)19-20-6-9-22(10-7-20)28(36)33-26-5-3-4-24(31-26)11-8-21-16-23-17-25(29(37)38-2)32-27(23)30-18-21;1-34-11-13-35(14-12-34)18-19-3-6-21(7-4-19)27(36)33-25-9-10-29-24(32-25)8-5-20-15-22-16-23(28(37)38-2)31-26(22)30-17-20;1-34-11-13-35(14-12-34)18-19-3-6-21(7-4-19)26(36)33-28-29-10-9-23(31-28)8-5-20-15-22-16-24(27(37)38-2)32-25(22)30-17-20;1-32-9-11-33(12-10-32)17-18-3-6-20(7-4-18)26(34)31-24-16-28-23(37-24)8-5-19-13-21-14-22(27(35)36-2)30-25(21)29-15-19/h5,8-10,13-17,27H,6-7,11-12,18-19H2,1-4H3,(H,37,39)(H,38,42);4,7-16H,5-6H2,1-3H3,(H,34,37)(H,36,39);3-7,9-10,16-18H,8,11-15,19H2,1-2H3,(H,30,32)(H,31,33,36);3-4,6-7,9-10,15-17H,5,8,11-14,18H2,1-2H3,(H,30,31)(H,29,32,33,36);3-4,6-7,9-10,15-17H,5,8,11-14,18H2,1-2H3,(H,30,32)(H,29,31,33,36);3-4,6-7,13-16H,5,8-12,17H2,1-2H3,(H,29,30)(H,31,34)
InChIKeyFGSPYBCZBIEKIM-UHFFFAOYSA-N
XLogP25.03
TPSA632.04 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds48
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003227.70
LogP ≤ 525.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]oxane-4-carboxamide;methyl 6-[[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carbonyl]amino]pyridine-3-carboxylate;N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 157729506
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 158684191
methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 159744011
8-ethyl-6-[3-methyl-5-(1-methylpyrrolidin-3-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[1-methyl-4-(1,3-thiazol-5-yl)imidazol-2-yl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-6-piperidin-2-yl-3-pyridinyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159955890
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 160663882
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide;N-(1,1-difluoroethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;methyl 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 161245393
3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride
CID 161053798
4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 164971106

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 158027091) is methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(CCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CCC(N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COC(=O)c1cc2cc(CCc3cccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3ccnc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3ncc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)s3)cnc2[nH]1.COC(=O)c1cc2cc(CCc3nccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)n3)cnc2[nH]1.
What is the InChIKey of methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is FGSPYBCZBIEKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F3N5O3.C30H26F3N5O3.C29H32N6O3.2C28H31N7O3.C27H30N6O3S/c1-20-5-10-26(14-22(20)7-6-21-13-25-16-29(32(43)44-4)39-30(25)37-17-21)38-31(42)23-8-9-24(28(15-23)33(34,35)36)18-41-12-11-27(19-41)40(2)3;1-17-4-7-24(10-20(17)6-5-19-8-21-12-26(29(40)41-3)37-27(21)34-14-19)36-28(39)22-9-23(30(31,32)33)13-25(11-22)38-15-18(2)35-16-38;1-34-12-14-35(15-13-34)19-20-6-9-22(10-7-20)28(36)33-26-5-3-4-24(31-26)11-8-21-16-23-17-25(29(37)38-2)32-27(23)30-18-21;1-34-11-13-35(14-12-34)18-19-3-6-21(7-4-19)27(36)33-25-9-10-29-24(32-25)8-5-20-15-22-16-23(28(37)38-2)31-26(22)30-17-20;1-34-11-13-35(14-12-34)18-19-3-6-21(7-4-19)26(36)33-28-29-10-9-23(31-28)8-5-20-15-22-16-24(27(37)38-2)32-25(22)30-17-20;1-32-9-11-33(12-10-32)17-18-3-6-20(7-4-18)26(34)31-24-16-28-23(37-24)8-5-19-13-21-14-22(27(35)36-2)30-25(21)29-15-19/h5,8-10,13-17,27H,6-7,11-12,18-19H2,1-4H3,(H,37,39)(H,38,42);4,7-16H,5-6H2,1-3H3,(H,34,37)(H,36,39);3-7,9-10,16-18H,8,11-15,19H2,1-2H3,(H,30,32)(H,31,33,36);3-4,6-7,9-10,15-17H,5,8,11-14,18H2,1-2H3,(H,30,31)(H,29,32,33,36);3-4,6-7,9-10,15-17H,5,8,11-14,18H2,1-2H3,(H,30,32)(H,29,31,33,36);3-4,6-7,13-16H,5,8-12,17H2,1-2H3,(H,29,30)(H,31,34).
What are the key properties of methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 3227.70 g/mol, XLogP of 25.03, 48 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 158027091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).